(2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile

C15H13N3S — CID 2998560

IUPAC(2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile
SMILESN#C/C(=C1\CCCN1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H13N3S/c16-9-12(13-7-4-8-17-13)15-18-14(10-19-15)11-5-2-1-3-6-11/h1-3,5-6,10,17H,4,7-8H2/b13-12-
InChIKeyBHRZLQXUNCBBJD-SEYXRHQNSA-N
MW267.36 g/mol
LogP3.43
Rot. Bonds2

About (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile

(2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile (PubChem CID 2998560) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile.

Molecular Properties

Compound Name(2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile
PubChem CID2998560
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name(2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile
SMILESN#C/C(=C1\CCCN1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H13N3S/c16-9-12(13-7-4-8-17-13)15-18-14(10-19-15)11-5-2-1-3-6-11/h1-3,5-6,10,17H,4,7-8H2/b13-12-
InChIKeyBHRZLQXUNCBBJD-SEYXRHQNSA-N
XLogP3.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile?
The IUPAC name of (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile (CID 2998560) is (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile.
What is the SMILES notation for (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile?
The canonical SMILES for (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile is N#C/C(=C1\CCCN1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile?
The InChIKey is BHRZLQXUNCBBJD-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H13N3S/c16-9-12(13-7-4-8-17-13)15-18-14(10-19-15)11-5-2-1-3-6-11/h1-3,5-6,10,17H,4,7-8H2/b13-12-.
What are the key properties of (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile?
(2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile has a molecular weight of 267.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile is sourced from PubChem (CID 2998560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).